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Chemical ID: 6426658
Chemical ID:
6426658
Name [?]:
2-furyl-[5-(2-furyl)-3-methylsulfanyl-2-furyl]-methanone
SMILES [?]:
CSc1cc(oc1C(=O)c2ccco2)c3ccco3
InChi [?]:
InChI=1/C14H10O4S/c1-19-12-8-11(9-4-2-6-16-9)18-14(12)13(15)10-5-3-7-17-10/h2-8H,1H3
InChi Info:
AuxInfo=1/0/N:1,17,12,16,11,18,13,4,15,10,5,3,8,7,9,19,14,6,2/rA:19nCSCCCOCCOCCCCOCCCCO/rB:s1;s2;s3;d4;s5;d3s6;s7;d8;s8;d10;s11;d12;s10s13;s5;d15;s16;d17;s15s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H10O4S |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.69286 |
Area: | 455.88 |
Solvation: | -3.70415 |
Coulombic: | -33.0463 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 274.293 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 2.29 |
LogP (Chemaxon): | 2.22 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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